Bad Calculated Bond Lengths
List of molecules with calculated bond lengths that differ by more than
0.050 Å
from experimental bond lengths.
Calculated at QCISD/TZVP
| Species |
Name |
Bond type |
Bond Length (Å) |
| Experimental |
Calculated |
Difference |
| NaK |
Sodium Potassium |
rNaK |
3.589 |
3.708 |
0.119 |
1 molecules.
